3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide

C14H20ClFN2O — CID 125443294

IUPAC3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
SMILESCC(C)[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)C
InChIInChI=1S/C14H20ClFN2O/c1-9(2)13(18(3)4)8-17-14(19)10-5-11(15)7-12(16)6-10/h5-7,9,13H,8H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyMQXRIUBSRVQEIS-ZDUSSCGKSA-N
MW286.78 g/mol
LogP2.80
Rot. Bonds5

About 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide

3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide (PubChem CID 125443294) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
PubChem CID125443294
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
SMILESCC(C)[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)C
InChIInChI=1S/C14H20ClFN2O/c1-9(2)13(18(3)4)8-17-14(19)10-5-11(15)7-12(16)6-10/h5-7,9,13H,8H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyMQXRIUBSRVQEIS-ZDUSSCGKSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
CID 120507470
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
CID 99599053
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide (CID 125443294) is 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide is CC(C)[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)C.
What is the InChIKey of 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide?
The InChIKey is MQXRIUBSRVQEIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9(2)13(18(3)4)8-17-14(19)10-5-11(15)7-12(16)6-10/h5-7,9,13H,8H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide?
3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide has a molecular weight of 286.78 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide is sourced from PubChem (CID 125443294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).